Geometry & MOs

Info

ID:	214017
PubChem CID:	81065790
Reduced:	NSF2O4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-245.91
Dipole, Da:	4.84
IP(EA), eV:	-9.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=C(C=CC=C1F)F

DOS

IR

Vibrations